A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data حسب Anthony S. Barente (14035175)

الموضوعات:

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... حسب Giacomo Janson (8138517)

Listed python codes of our algorithm with explanations (Python 3.9 recommended). حسب Takayuki Niizato (162226)

3D modeling qualities of the AS single-template models built by including DOPE in the objective function of MODELLER. حسب Giacomo Janson (8138517)

3D modeling qualities of the AM multiple-template models built by including DOPE in the objective function of MODELLER. حسب Giacomo Janson (8138517)

Python-based Monte Carlo Simulation Tool حسب Yangfan Jiang (9372782)

Convergence curves on the functions CL4, CL11, CL13, CL14, CL18, CL19, C17F1, C17F2, and C17F4. حسب Mahmood A. Jumaah (22272371)

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

"…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …"

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

"…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…"

Comparison of algorithms in two cases. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

Flow of the NSGA-II algorithm. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

An expectation-maximization algorithm for finding noninvadable stationary states. حسب Robert Marsland (8616483)

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements حسب Pascal Wang (10130612)

"…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …"

Pipeline of the interactor algorithm. حسب Jose Cleydson F. Silva (8685594)

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"

Functional effect prediction of FUS mutations by ten nsSNP prediction algorithms. حسب L. F. S. Bonet (11502082)

The optimal solution set of NYN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

The optimal solution set of HN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz حسب Faizan Ali (21689861)

الموضوعات:

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses حسب Dominykas Lukauskis (14143149)

"…OpenBPMD is powered by the OpenMM simulation engine and uses a revised scoring function. The algorithm was validated by testing it on a wide range of targets and showing that it matches or exceeds the performance of the original BPMD. …"